5,5-diethyl-N-[(4-ethylcyclohexyl)methyl]-4,6-dihydro-1,3-thiazin-2-amine

C17H32N2S — CID 106250589

IUPAC5,5-diethyl-N-[(4-ethylcyclohexyl)methyl]-4,6-dihydro-1,3-thiazin-2-amine
SMILESCCC1CCC(CNC2=NCC(CC)(CC)CS2)CC1
InChIInChI=1S/C17H32N2S/c1-4-14-7-9-15(10-8-14)11-18-16-19-12-17(5-2,6-3)13-20-16/h14-15H,4-13H2,1-3H3,(H,18,19)
InChIKeyVNVIPYDLXMHZSO-UHFFFAOYSA-N
MW296.52 g/mol
LogP4.70
Rot. Bonds5

About 5,5-diethyl-N-[(4-ethylcyclohexyl)methyl]-4,6-dihydro-1,3-thiazin-2-amine

5,5-diethyl-N-[(4-ethylcyclohexyl)methyl]-4,6-dihydro-1,3-thiazin-2-amine (PubChem CID 106250589) has the molecular formula C17H32N2S and a molecular weight of 296.52 g/mol. Its IUPAC name is 5,5-diethyl-N-[(4-ethylcyclohexyl)methyl]-4,6-dihydro-1,3-thiazin-2-amine.

Molecular Properties

Compound Name5,5-diethyl-N-[(4-ethylcyclohexyl)methyl]-4,6-dihydro-1,3-thiazin-2-amine
PubChem CID106250589
Molecular FormulaC17H32N2S
Molecular Weight296.52 g/mol
Exact Mass296.23
IUPAC Name5,5-diethyl-N-[(4-ethylcyclohexyl)methyl]-4,6-dihydro-1,3-thiazin-2-amine
SMILESCCC1CCC(CNC2=NCC(CC)(CC)CS2)CC1
InChIInChI=1S/C17H32N2S/c1-4-14-7-9-15(10-8-14)11-18-16-19-12-17(5-2,6-3)13-20-16/h14-15H,4-13H2,1-3H3,(H,18,19)
InChIKeyVNVIPYDLXMHZSO-UHFFFAOYSA-N
XLogP4.70
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.52
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5,5-diethyl-N-[(4-ethylcyclohexyl)methyl]-4,6-dihydro-1,3-thiazin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5,5-diethyl-N-[(4-ethylcyclohexyl)methyl]-4,6-dihydro-1,3-thiazin-2-amine?
The IUPAC name of 5,5-diethyl-N-[(4-ethylcyclohexyl)methyl]-4,6-dihydro-1,3-thiazin-2-amine (CID 106250589) is 5,5-diethyl-N-[(4-ethylcyclohexyl)methyl]-4,6-dihydro-1,3-thiazin-2-amine.
What is the SMILES notation for 5,5-diethyl-N-[(4-ethylcyclohexyl)methyl]-4,6-dihydro-1,3-thiazin-2-amine?
The canonical SMILES for 5,5-diethyl-N-[(4-ethylcyclohexyl)methyl]-4,6-dihydro-1,3-thiazin-2-amine is CCC1CCC(CNC2=NCC(CC)(CC)CS2)CC1.
What is the InChIKey of 5,5-diethyl-N-[(4-ethylcyclohexyl)methyl]-4,6-dihydro-1,3-thiazin-2-amine?
The InChIKey is VNVIPYDLXMHZSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N2S/c1-4-14-7-9-15(10-8-14)11-18-16-19-12-17(5-2,6-3)13-20-16/h14-15H,4-13H2,1-3H3,(H,18,19).
What are the key properties of 5,5-diethyl-N-[(4-ethylcyclohexyl)methyl]-4,6-dihydro-1,3-thiazin-2-amine?
5,5-diethyl-N-[(4-ethylcyclohexyl)methyl]-4,6-dihydro-1,3-thiazin-2-amine has a molecular weight of 296.52 g/mol, XLogP of 4.70, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-diethyl-N-[(4-ethylcyclohexyl)methyl]-4,6-dihydro-1,3-thiazin-2-amine is sourced from PubChem (CID 106250589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).